2-chloranyl-5-[2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 2-chloro-5-[2-[(E)-2-(3-nitrophenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 2-chloro-5-[2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 2-chloro-5-[2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 2-chloro-5-[4-keto-2-[(E)-2-(3-nitrophenyl)vinyl]quinazolin-3-yl]benzoic acid Formula: C23H14ClN3O5 MolecularWeight: 447.82736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H14ClN3O5/c24-19-10-9-15(13-18(19)23(29)30)26-21(25-20-7-2-1-6-17(20)22(26)28)11-8-14-4-3-5-16(12-14)27(31)32/h1-13H,(H,29,30)/b11-8+